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{
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{
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"elements": [
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"formula_full": "V2 Si14 N20",
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{
"id": "mp-23883",
"created_at": "2022-09-04T14:39:05.877594Z",
"structure_string": "Be16 B8 H8 O32\n1.0\n4.458601 0.000000 0.000000\n0.000000 9.891237 0.000000\n0.000000 0.000000 12.232268\nBe B H O\n16 8 8 32\ndirect\n0.275997 0.237635 0.068348 Be\n0.775997 0.262365 0.931652 Be\n0.724003 0.737635 0.431652 Be\n0.759453 0.002841 0.311003 Be\n0.724003 0.762365 0.931652 Be\n0.224003 0.737635 0.068348 Be\n0.275997 0.262365 0.568348 Be\n0.775997 0.237635 0.431652 Be\n0.259453 0.497159 0.688997 Be\n0.240547 0.502841 0.188997 Be\n0.740547 0.997159 0.811003 Be\n0.240547 0.997159 0.688997 Be\n0.740547 0.502841 0.311003 Be\n0.759453 0.497159 0.811003 Be\n0.224003 0.762365 0.568348 Be\n0.259453 0.002841 0.188997 Be\n0.272220 0.107336 0.392589 B\n0.772220 0.107336 0.107411 B\n0.272220 0.392664 0.892589 B\n0.227780 0.607336 0.392589 B\n0.727780 0.892664 0.607411 B\n0.227780 0.892664 0.892589 B\n0.727780 0.607336 0.107411 B\n0.772220 0.392664 0.607411 B\n0.961805 0.316831 0.276544 H\n0.961805 0.183169 0.776544 H\n0.538195 0.816831 0.276544 H\n0.038195 0.683169 0.723456 H\n0.538195 0.683169 0.776544 H\n0.038195 0.816831 0.223456 H\n0.461805 0.183169 0.723456 H\n0.461805 0.316831 0.223456 H\n0.617540 0.037661 0.187447 O\n0.581388 0.397865 0.896247 O\n0.918612 0.602135 0.396247 O\n0.418612 0.897865 0.603753 O\n0.918612 0.897865 0.896247 O\n0.418612 0.602135 0.103753 O\n0.081388 0.397865 0.603753 O\n0.581388 0.102135 0.396247 O\n0.616581 0.188338 0.035084 O\n0.116581 0.311662 0.964916 O\n0.383419 0.688338 0.464916 O\n0.883419 0.811662 0.535084 O\n0.081388 0.102135 0.103753 O\n0.883419 0.688338 0.035084 O\n0.616581 0.311662 0.535084 O\n0.116581 0.188338 0.464916 O\n0.383419 0.811662 0.964916 O\n0.793483 0.159841 0.825403 O\n0.706517 0.840159 0.325403 O\n0.206517 0.659841 0.674597 O\n0.706517 0.659841 0.825403 O\n0.206517 0.840159 0.174597 O\n0.293483 0.159841 0.674597 O\n0.793483 0.340159 0.325403 O\n0.117540 0.037661 0.312553 O\n0.617540 0.462339 0.687447 O\n0.882460 0.537661 0.187447 O\n0.382460 0.962339 0.812553 O\n0.882460 0.962339 0.687447 O\n0.382460 0.537661 0.312553 O\n0.117540 0.462339 0.812553 O\n0.293483 0.340159 0.174597 O\n",
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"density": 2.3108675955073466,
"density_atomic": 0.11863798705670768,
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"formula_full": "Be16 B8 H8 O32",
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"updated_at": "2021-11-28T01:34:29.945000Z",
"spacegroup": 61
},
{
"id": "mp-1096944",
"created_at": "2022-09-04T14:39:10.279446Z",
"structure_string": "Cs1 Nb1 O3\n1.0\n4.170919 0.000000 0.000000\n0.000000 4.170919 0.000000\n0.000000 0.000000 4.170919\nCs Nb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Nb\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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"spacegroup": 221
},
{
"id": "mp-22913",
"created_at": "2022-09-04T14:39:05.459960Z",
"structure_string": "Cu1 Br1\n1.0\n0.000000 2.849508 2.849508\n2.849508 0.000000 2.849508\n2.849508 2.849508 0.000000\nCu Br\n1 1\ndirect\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Br\n",
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"volume": 46.274276519056215,
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{
"id": "mp-726237",
"created_at": "2022-09-04T14:39:05.772379Z",
"structure_string": "Rb8 Tl4 Cl20 O4\n1.0\n7.897387 0.000000 0.000000\n0.000000 10.488828 0.000000\n0.000000 0.000000 13.660420\nRb Tl Cl O\n8 4 20 4\ndirect\n0.683583 0.487079 0.361828 Rb\n0.816417 0.012921 0.861828 Rb\n0.316417 0.987079 0.638172 Rb\n0.183583 0.512921 0.138172 Rb\n0.316417 0.512921 0.638172 Rb\n0.183583 0.987079 0.138172 Rb\n0.683583 0.012921 0.361828 Rb\n0.816417 0.487079 0.861828 Rb\n0.733936 0.750000 0.110084 Tl\n0.766064 0.750000 0.610084 Tl\n0.266064 0.250000 0.889916 Tl\n0.233936 0.250000 0.389916 Tl\n0.977463 0.750000 0.986734 Cl\n0.522537 0.750000 0.486734 Cl\n0.022537 0.250000 0.013266 Cl\n0.477463 0.250000 0.513266 Cl\n0.911154 0.750000 0.264904 Cl\n0.588846 0.750000 0.764904 Cl\n0.088846 0.250000 0.735096 Cl\n0.411154 0.250000 0.235096 Cl\n0.422450 0.750000 0.217080 Cl\n0.077550 0.750000 0.717080 Cl\n0.577550 0.250000 0.782920 Cl\n0.922450 0.250000 0.282920 Cl\n0.693629 0.508317 0.101992 Cl\n0.806371 0.991683 0.601992 Cl\n0.306371 0.008317 0.898008 Cl\n0.193629 0.491683 0.398008 Cl\n0.306371 0.491683 0.898008 Cl\n0.193629 0.008317 0.398008 Cl\n0.693629 0.991683 0.101992 Cl\n0.806371 0.508317 0.601992 Cl\n0.464343 0.750000 0.043593 O\n0.035657 0.750000 0.543593 O\n0.535657 0.250000 0.956407 O\n0.964343 0.250000 0.456407 O\n",
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{
"id": "mp-758855",
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"structure_string": "Li8 Zn8 B8 O24\n1.0\n5.082049 0.000000 0.000000\n-0.014874 8.859268 0.000000\n-0.081205 -0.002639 11.221704\nLi Zn B O\n8 8 8 24\ndirect\n0.675386 0.014506 0.166377 Li\n0.348312 0.997881 0.897597 Li\n0.336074 0.002560 0.352538 Li\n0.824336 0.509519 0.333115 Li\n0.103767 0.491515 0.725603 Li\n0.165178 0.509142 0.152855 Li\n0.152164 0.506343 0.534286 Li\n0.660874 0.993502 0.672366 Li\n0.854948 0.169118 0.890570 Zn\n0.160441 0.162420 0.621020 Zn\n0.661826 0.345010 0.101907 Zn\n0.344232 0.325716 0.352666 Zn\n0.651432 0.666414 0.650265 Zn\n0.839730 0.837705 0.394693 Zn\n0.366487 0.654729 0.908374 Zn\n0.150368 0.839307 0.112059 Zn\n0.843638 0.168852 0.371341 B\n0.167341 0.170796 0.129892 B\n0.658018 0.335592 0.625407 B\n0.345429 0.326611 0.885095 B\n0.663813 0.672646 0.133741 B\n0.844597 0.831145 0.874178 B\n0.340007 0.670429 0.367193 B\n0.152092 0.826342 0.623001 B\n0.704981 0.036586 0.348857 O\n0.903272 0.169231 0.098791 O\n0.310494 0.038151 0.130928 O\n0.780745 0.198195 0.649136 O\n0.723015 0.307040 0.356964 O\n0.223123 0.191134 0.854126 O\n0.110663 0.161764 0.404135 O\n0.605209 0.325821 0.925177 O\n0.810660 0.467015 0.620775 O\n0.293435 0.306467 0.162221 O\n0.383855 0.344865 0.609500 O\n0.798830 0.539350 0.153757 O\n0.210801 0.460463 0.878434 O\n0.713564 0.700040 0.838146 O\n0.605227 0.665386 0.388929 O\n0.196947 0.533274 0.364018 O\n0.397154 0.664517 0.097025 O\n0.781883 0.810743 0.147284 O\n0.881788 0.835310 0.592795 O\n0.263916 0.682755 0.637603 O\n0.207217 0.804737 0.348024 O\n0.712356 0.967548 0.863138 O\n0.105617 0.828095 0.916793 O\n0.297220 0.956626 0.637037 O\n",
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{
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"structure_string": "Ca4 Cr8 Cu8 O32\n1.0\n8.677536 0.000000 0.000000\n0.000000 6.648789 0.000000\n0.000000 0.651324 12.323233\nCa Cr Cu O\n4 8 8 32\ndirect\n0.167486 0.128161 0.043485 Ca\n0.832514 0.871839 0.956515 Ca\n0.667486 0.871839 0.456515 Ca\n0.332514 0.128161 0.543485 Ca\n0.461987 0.099619 0.845370 Cr\n0.038013 0.099619 0.345370 Cr\n0.084927 0.606087 0.136364 Cr\n0.961987 0.900381 0.654630 Cr\n0.915073 0.393913 0.863636 Cr\n0.584927 0.393913 0.363636 Cr\n0.415073 0.606087 0.636364 Cr\n0.538013 0.900381 0.154630 Cr\n0.184886 0.761333 0.857116 Cu\n0.049497 0.392032 0.628693 Cu\n0.950503 0.607968 0.371307 Cu\n0.815114 0.238667 0.142884 Cu\n0.315114 0.761333 0.357116 Cu\n0.450503 0.392032 0.128693 Cu\n0.684886 0.238667 0.642884 Cu\n0.549497 0.607968 0.871307 Cu\n0.219806 0.023982 0.381419 O\n0.000944 0.680120 0.599639 O\n0.580634 0.199214 0.461302 O\n0.080634 0.800786 0.038698 O\n0.280194 0.023982 0.881419 O\n0.780194 0.976018 0.618581 O\n0.085806 0.088277 0.613155 O\n0.908804 0.503390 0.135272 O\n0.591196 0.503390 0.635272 O\n0.875761 0.320306 0.736636 O\n0.375761 0.679694 0.763364 O\n0.091196 0.496610 0.864728 O\n0.914194 0.911723 0.386845 O\n0.523159 0.870978 0.290811 O\n0.276342 0.441419 0.601333 O\n0.223658 0.441419 0.101333 O\n0.023159 0.129022 0.209189 O\n0.408804 0.496610 0.364728 O\n0.476841 0.129022 0.709189 O\n0.419366 0.800786 0.538698 O\n0.499056 0.680120 0.099639 O\n0.124239 0.679694 0.263364 O\n0.719806 0.976018 0.118581 O\n0.414194 0.088277 0.113155 O\n0.919366 0.199214 0.961302 O\n0.776342 0.558581 0.898667 O\n0.999056 0.319880 0.400361 O\n0.500944 0.319880 0.900361 O\n0.585806 0.911723 0.886845 O\n0.723658 0.558581 0.398667 O\n0.624239 0.320306 0.236636 O\n0.976841 0.870978 0.790811 O\n",
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